SCHEMBL30005815

SCHEMBL30005815

CC(C)(C)[Si](C)(C)n1c2ccccc2c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 5/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ATM Q13315 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.34
FTO Q9C0B1 1/20 0.34
GLS O94925 1/20 0.34
KIF11 P52732 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RCE1 Q9Y256 1/20 0.34
MAPT P10636 4/20 0.33
SLC6A2 P23975 2/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25738058 1.00 GPR3 (0.44) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL31172482 0.85 TSPO (0.43) GPR3KDM4EL3MBTL1ALDH1A1HSD17B10
SCHEMBL18191252 0.85 TSPO (0.43) GPR3KDM4EL3MBTL1ALDH1A1HSD17B10
SCHEMBL21510177 0.83 KDM4E (0.42) GPR3POLBKDM4EL3MBTL1ATM
SCHEMBL23352494 0.82 KDM1A (0.41) GPR3CYP1A2CYP2C19L3MBTL1KIF11
SCHEMBL21373990 0.82 NPY5R (0.40) CYP1A2CYP2C19POLBKDM4EL3MBTL1
SCHEMBL21368527 0.82 NPY5R (0.35) GPR3POLBKDM4EL3MBTL1ALDH1A1
SCHEMBL28237770 0.81 ALKBH5 (0.37) GPR3ALKBH5FTO
SCHEMBL22863216 0.80 NPY5R (0.34) CYP1A2CYP2C19KDM4EL3MBTL1ALDH1A1
SCHEMBL21368557 0.80 NPY5R (0.34) CYP1A2CYP2C19KDM4EL3MBTL1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112661780-B Preparation method of asymmetric electron donor substituted carborane luminescent material and OLED device 盐城工学院 2022-10-18 CN disclosed